Early-bird communication is a communication/computation overlap technique that combines fine-grained communication with partitioned communication to improve application run-time. Communication is divided among the compute threads such that each individual thread can initiate transmission of its portion of the data as soon as it is complete rather than waiting for all of the threads. However, the benefit of early-bird communication depends on the completion timing of the individual threads. In this paper, we measure and evaluate the potential overlap, the idle time each thread experiences between finishing their computation and the final thread finishing. These measurements help us understand whether a given application could benefit from early-bird communication. We present our technique for gathering this data and evaluate data collected from three proxy applications: MiniFE, MiniMD, and MiniQMC. To characterize the behavior of these workloads, we study the thread timings at both a macro level, i.e., across all threads across all runs of an application, and a micro level, i.e., within a single process of a single run. We observe that these applications exhibit significantly different behavior. While MiniFE and MiniQMC appear to be well-suited for early-bird communication because of their wider thread distribution and more frequent laggard threads, the behavior of MiniMD may limit its ability to leverage early-bird communication.
Traditional point-to-point communication sends data only after the entirety of the data is available. This includes situations where multiple actors (e.g., threads) contribute to the send buffer. As a result, cases where the completion times of these actors are widely distributed may be lost opportunities for optimization because data ready to be sent is waiting to be transmitted. Fine-grained communication exposes these opportunities by allowing buffers to be divided into elements that can then be sent independently (see e.g., Partitioned Communication in Message Passing Interface v4.0). While some research has been directed at exploring the utility of such 'early-bird' transmission, the overall search space for finding the best performing actor completion timings and element counts is large. In this work, we present an abstract model of fine-grained communication based on the LogGP model and a complementary benchmark. We use the model to explore actor completion timing scenarios and identify trends in communication behavior based on factors such as overall message size and delay between actor completions. We evaluate the benchmarks on three systems utilizing distinct network technologies and show that: (i) smaller numbers of elements are able to exploit most of the benefit of early-bird communication, (ii) performance benefit will depend non-trivially on application behavior, and (iii) benefits are highly network-dependent.
The plastic deformation of metals is a dissipative process. Some fraction of the plastic work is converted to heat which, given the temperature dependent response of metals, produces a thermal-mechanical coupling. In various cases, for instance when the loading is dynamic, this interaction can impact the resulting response of a material and/or system. Thus, appropriately capturing the heat generation from plastic work is necessary for various solid mechanics analysis. Determination of the fraction of work converted to heat has been long studied. Recent developments have demonstrated that the fraction is not constant but depends on various state variables. Resolving these features requires combined modeling and experimental studies. To this end, 304L stainless steel – a poor thermal conductor – was recently subjected to such an investigation. Advanced modeling capabilities were deployed to assess novel thermomechanically coupled experiments. As a complement to that study, in the current work a similar investigation is performed on copper – a good thermal conductor – to assess performance on the opposite end of the spectrum. The current document discusses these modeling efforts.
Garcia, Valentina; Pidatala, Venkataramana; Barcelos, Carolina A.; Liu, Dupeng; Otoupal, Peter; Wendt, Oliver; Choudhary, Hemant; Sun, Ning; Eudes, Aymerick; Sundstrom, Eric R.; Scheller, Henrik V.; Putnam, Daniel H.; Mukhopadhyay, Aindrila; Gladden, John M.; Simmons, Blake A.; Rodriguez Ruiz, Jose A.
Building a stronger bioeconomy requires production capabilities that are largely generated through microbial genetic engineering. Plant feedstocks can additionally be genetically engineered to generate desirable feedstock traits and provide precursors for direct microbial conversion into desired products. The oleaginous yeast Rhodosporidium toruloides is a promising organism for this type of conversion as it can grow on a wide range of deconstructed biomass and consume a variety of carbon sources. Here, we leveraged R. toruloides native p-coumaric acid consumption pathway to accumulate protocatechuate (PCA) from 4-hydroxybenzoate (4HBA) released from a sorghum feedstock line genetically engineered to overproduce 4HBA. We did so by generating and evaluating an R. toruloides strain that accumulates PCA, RSΔ12623. We then show that at two scales a cholinium lysinate pretreatment with enzymatic saccharification successfully extracts 95% of the 4HBA from the engineered sorghum biomass while producing deconstructed lignin that can be more efficiently depolymerized in a subsequent thermochemical reaction. We also demonstrate that strain RSΔ12623 can convert more than 95% of 4HBA to PCA while consuming >95% of the glucose and >80% of the xylose present in sorghum hydrolysates. Finally, to evaluate the scalability of such fermentations, we conducted the conversion of 4HBA to PCA in a 2 L bioreactor under controlled conditions. This work demonstrates the potential of purposefully producing aromatic precursors in planta that can be liberated during biomass deconstruction for direct microbial conversion to desirable bioproducts.
Metamaterial resonators have become an efficient and versatile platform in the terahertz frequency range, finding applications in integrated optical devices, such as active modulators and detectors, and in fundamental research, e.g., ultrastrong light–matter investigations. Despite their growing use, characterization of modes supported by these subwavelength elements has proven to be challenging and it still relies on indirect observation of the collective far-field transmission/reflection properties of resonator arrays. Here, we present a broadband time-domain spectroscopic investigation of individual metamaterial resonators via a THz aperture scanning near-field microscope (a-SNOM). The time-domain a-SNOM allows the mapping and quantitative analysis of strongly confined modes supported by the resonators. In particular, a cross-polarized configuration presented here allows an investigation of weakly radiative modes. These results hold great potential to advance future metamaterial-based optoelectronic platforms for fundamental research in THz photonics.
UV photofragment spectroscopy and IR-UV double resonance methods are used to determine the structure and spectroscopic responses of a three-dimensional [2.2.2]-benzocryptand cage to the incorporation of a single K+ or Ba2+ imbedded inside it (labeled as K+-BzCrypt, Ba2+-BzCrypt). We studied the isolated ion-cryptand complex under cryo-cooled conditions, brought into the gas phase by nano-electrospray ionization. Incorporation of a phenyl ring in place of the central ethyl group in one of the three N-CH2-CH2-O-CH2-CH2-O-CH2-CH2-N chains provides a UV chromophore whose S0-S1 transition we probe. K+-BzCrypt and Ba2+-BzCrypt have their S0-S1 origin transitions at 35,925 and 36,446 cm-1, respectively, blue-shifted by 174 and 695 cm-1 from that of 1,2-dimethoxybenzene. These origins are used to excite a single conformation of each complex selectively and record their IR spectra using IR-UV dip spectroscopy. The alkyl CH stretch region (2800-3000 cm-1) is surprisingly sensitive to the presence and nature of the encapsulated ion. We carried out an exhaustive conformational search of cage conformations for K+-BzCrypt and Ba2+-BzCrypt, identifying two conformations (A and B) that lie below all others in energy. We extend our local mode anharmonic model of the CH stretch region to these strongly bound ion-cage complexes to predict conformation-specific alkyl CH stretch spectra, obtaining quantitative agreement with experiment for conformer A, the gas-phase global minimum. The large electrostatic effect of the charge on the O- and N-lone pairs affects the local mode frequencies of the CH2 groups adjacent to these atoms. The localized CH2 scissors modes are pushed up in frequency by the adjacent O/N-atoms so that their overtones have little effect on the alkyl CH stretch region. However, the localized CH2 wags are nearly degenerate and strongly coupled to one another, producing an array of delocalized wag normal modes, whose highest frequency members reach up above 1400 cm-1. As such, their overtones mix significantly with the CH stretch modes, most notably involving the CH2 symmetric stretch fundamentals of the central ethyl groups in the all-alkyl chains and the CH stretches adjacent to the N-atoms and antiperiplanar to the nitrogen lone pair.
Dannemann Dugick, Fransiska; Bishop, Jordan W.; Martire, Leo; Iezzi, Alexandra M.; Assink, Jelle D.; Brissaud, Quentin; Arrowsmith, Stephen
This special section of the Bulletin of the Seismological Society of America provides a broad overview on recent advances to the understanding of the seismoacoustic wavefield through 19 articles. Leveraging multiphenomenology datasets is instrumental for the continued success of future planetary missions, nuclear test ban treaty verification, and natural hazard monitoring. Progress in our theoretical understanding of mechanical coupling, advancements in coupled-media wave modeling, and developments of efficient multitechnology inversion procedures are key to fully exploiting geophysical datasets on Earth and beyond. We begin by highlighting papers describing experimental setups and instrumentation, followed by characterization of natural and anthropogenic sources of interest, and ending in new open-access datasets. Finally, we conclude with an overview of challenges that remain as well as some potential directions for future investigation within the growing multidisciplinary field of seismoacoustics.
Thermal-Hydrologic (TH) modeling of DECOVALEX 2023, Task C has continued in FY23. This report summarizes progress in TH modeling of Step 1c, with calibration modeling and the addition of shotcrete. The work involves 3-D modeling of the full-scale emplacement experiment at the Mont Terri Underground Rock Laboratory (Nagra, 2019). While Step 1 is focused on modeling the heating phase of the FE experiment with changes in pore pressure in the Opalinus clay resulting from heating, Step 1c is focused on calibration of models using available data.
The table presented below suggests the basic information that should be covered in a facility NMAC Plan for an NMAC program that is designed for nuclear security. The topics are appropriate for and should be addressed by all facilities in their NMAC Plans. They are appropriate for NMAC Plans for nuclear power plants, research reactors, fuel manufacturing facilities, facilities that produce medical isotopes, and other facilities. The difference is in the intensity with which the various measures are applied and the thoroughness of the description of the application (i.e., the program requirements). The robustness of a facility NMAC program and the content of its NMAC Plan should be graded in accordance with the type of facility and the category of its nuclear material.
Abstract: Advantages of the 2.5D HI (Heterogeneous Integration) electronics packaging of the power electronics compared to PCB packaging will be presented. Current 2.5D packaging effort using TSV (Through Silicon Via) will be presented in terms of fabrication, microstructural analysis, reliability, and thermal simulation.
The growth of helium bubbles impacts structural integrity of materials in nuclear applications. Understanding helium bubble nucleation and growth mechanisms is critical for improved material applications and aging predictions. Systematic molecular dynamics simulations have been performed to study helium bubble nucleation and growth mechanisms in Fe70Ni11Cr19 stainless steels. First, helium cluster diffusivities are calculated at a variety of helium cluster sizes and temperatures for systems with and without dislocations. Second, the process of diffusion of helium atoms to join existing helium bubbles is not deterministic and is hence studied using ensemble simulations for systems with and without vacancies, interstitials, and dislocations. We find that bubble nucleation depends on diffusion of not only single helium atoms, but also small helium clusters. Defects such as vacancies and dislocations can significantly impact the diffusion kinetics due to the trapping effects. Vacancies always increase the time for helium atoms to join existing bubbles due to the short-range trapping effect. This promotes bubble nucleation as opposed to bubble growth. Interestingly, dislocations can create a long-range trapping effect that reduces the time for helium atoms to join existing bubbles. This can promote bubble growth within a certain region near dislocations.
In this paper, we highlight how computational properties of biological dendrites can be leveraged for neuromorphic applications. Specifically, we demonstrate analog silicon dendrites that support multiplication mediated by conductance-based input in an interception model inspired by the biological dragonfly. We also demonstrate spatiotemporal pattern recognition and direction selectivity using dendrites on the Loihi neuromorphic platform. These dendritic circuits can be assembled hierarchically as building blocks for classifying complex spatiotemporal patterns.
